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16 lines
886 B
Plaintext
16 lines
886 B
Plaintext
14
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Nitropyridine N-Oxide,^1A_1,CCSD(T),cc-pVTZ
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C 0.00000000 0.00000000 -0.64421083
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C 1.20030756 0.00000000 0.04782708
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C -1.20030756 0.00000000 0.04782708
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C 1.18000314 0.00000000 1.42139690
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C -1.18000314 0.00000000 1.42139690
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N 0.00000000 0.00000000 -2.09927042
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N 0.00000000 0.00000000 2.11989049
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O 0.00000000 0.00000000 3.38124092
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O -1.08692023 0.00000000 -2.65878999
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O 1.08692023 0.00000000 -2.65878999
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H 2.13518725 0.00000000 -0.48122988
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H -2.13518725 0.00000000 -0.48122988
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H 2.05466020 0.00000000 2.04498743
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H -2.05466020 0.00000000 2.04498743 |